Information card for entry 4315206

Structure parameters

• Formula: C55 H102 Au Br F6 Ir N0 O2 P5
• Calculated formula: C55 H102 Au Br F6 Ir O2 P5
• Title of publication: Halogen Photoreductive Elimination from Metal-Metal Bonded Iridium(II)-Gold(II) Heterobimetallic Complexes
• Authors of publication: Thomas S. Teets; Daniel A. Lutterman; Daniel G. Nocera
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 3035 - 3043
• a: 15.0304 ± 0.0016 Å
• b: 21.199 ± 0.002 Å
• c: 20.366 ± 0.002 Å
• α: 90°
• β: 102.708 ± 0.002°
• γ: 90°
• Cell volume: 6330.2 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No